(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate

C19H29O3- — CID 161329194

IUPAC(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate
SMILESCCC(C)/C=C/C=C\C/C=C\C=C/C(O)CCCCC(=O)[O-]
InChIInChI=1S/C19H30O3/c1-3-17(2)13-9-7-5-4-6-8-10-14-18(20)15-11-12-16-19(21)22/h5-10,13-14,17-18,20H,3-4,11-12,15-16H2,1-2H3,(H,21,22)/p-1/b7-5-,8-6-,13-9+,14-10-
InChIKeyVLENJTDGVNZLEP-ZMRLPVCMSA-M
MW305.44 g/mol
LogP3.32
Rot. Bonds12

About (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate

(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate (PubChem CID 161329194) has the molecular formula C19H29O3- and a molecular weight of 305.44 g/mol. Its IUPAC name is (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate.

Molecular Properties

Compound Name(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate
PubChem CID161329194
Molecular FormulaC19H29O3-
Molecular Weight305.44 g/mol
Exact Mass305.21
IUPAC Name(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate
SMILESCCC(C)/C=C/C=C\C/C=C\C=C/C(O)CCCCC(=O)[O-]
InChIInChI=1S/C19H30O3/c1-3-17(2)13-9-7-5-4-6-8-10-14-18(20)15-11-12-16-19(21)22/h5-10,13-14,17-18,20H,3-4,11-12,15-16H2,1-2H3,(H,21,22)/p-1/b7-5-,8-6-,13-9+,14-10-
InChIKeyVLENJTDGVNZLEP-ZMRLPVCMSA-M
XLogP3.32
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate
CID 23694179
sodium (5S,6E,8E,10E,12R,14E,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
CID 171042279
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
sodium (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310855
magnesium;(2S)-2-azanidylpropanoate;(2S)-6-azaniumyl-2-methanidylhexanoate;(5S,6E,8Z,11Z,14Z,16E,18S)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoate;(3S,4E,6Z,9Z,12Z,14E,16S)-icosa-4,6,9,12,14-pentaene-3,16-diol
CID 161064302
(3R,4E,6Z,9Z,12Z,14E,16S)-icosa-4,6,9,12,14-pentaene-3,16-diol
CID 87523165
mercury(1+);6-methylheptanoate
CID 175025687
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
(Z)-11-hydroxyoctadec-9-enoate
CID 171037416
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate?
The IUPAC name of (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate (CID 161329194) is (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate.
What is the SMILES notation for (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate?
The canonical SMILES for (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate is CCC(C)/C=C/C=C\C/C=C\C=C/C(O)CCCCC(=O)[O-].
What is the InChIKey of (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate?
The InChIKey is VLENJTDGVNZLEP-ZMRLPVCMSA-M. The full InChI is InChI=1S/C19H30O3/c1-3-17(2)13-9-7-5-4-6-8-10-14-18(20)15-11-12-16-19(21)22/h5-10,13-14,17-18,20H,3-4,11-12,15-16H2,1-2H3,(H,21,22)/p-1/b7-5-,8-6-,13-9+,14-10-.
What are the key properties of (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate?
(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate has a molecular weight of 305.44 g/mol, XLogP of 3.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate is sourced from PubChem (CID 161329194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).